8-(3-ethylimidazol-4-yl)sulfonyl-5-oxa-8-azaspiro[2.6]nonane

C12H19N3O3S — CID 127806559

IUPAC8-(3-ethylimidazol-4-yl)sulfonyl-5-oxa-8-azaspiro[2.6]nonane
SMILESCCn1cncc1S(=O)(=O)N1CCOCC2(CC2)C1
InChIInChI=1S/C12H19N3O3S/c1-2-14-10-13-7-11(14)19(16,17)15-5-6-18-9-12(8-15)3-4-12/h7,10H,2-6,8-9H2,1H3
InChIKeyKREQVPYBECUNBA-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.70
Rot. Bonds3

About 8-(3-ethylimidazol-4-yl)sulfonyl-5-oxa-8-azaspiro[2.6]nonane

8-(3-ethylimidazol-4-yl)sulfonyl-5-oxa-8-azaspiro[2.6]nonane (PubChem CID 127806559) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 8-(3-ethylimidazol-4-yl)sulfonyl-5-oxa-8-azaspiro[2.6]nonane.

Molecular Properties

Compound Name8-(3-ethylimidazol-4-yl)sulfonyl-5-oxa-8-azaspiro[2.6]nonane
PubChem CID127806559
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name8-(3-ethylimidazol-4-yl)sulfonyl-5-oxa-8-azaspiro[2.6]nonane
SMILESCCn1cncc1S(=O)(=O)N1CCOCC2(CC2)C1
InChIInChI=1S/C12H19N3O3S/c1-2-14-10-13-7-11(14)19(16,17)15-5-6-18-9-12(8-15)3-4-12/h7,10H,2-6,8-9H2,1H3
InChIKeyKREQVPYBECUNBA-UHFFFAOYSA-N
XLogP0.70
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(3-ethylimidazol-4-yl)sulfonyl-5-oxa-8-azaspiro[2.6]nonane?
The IUPAC name of 8-(3-ethylimidazol-4-yl)sulfonyl-5-oxa-8-azaspiro[2.6]nonane (CID 127806559) is 8-(3-ethylimidazol-4-yl)sulfonyl-5-oxa-8-azaspiro[2.6]nonane.
What is the SMILES notation for 8-(3-ethylimidazol-4-yl)sulfonyl-5-oxa-8-azaspiro[2.6]nonane?
The canonical SMILES for 8-(3-ethylimidazol-4-yl)sulfonyl-5-oxa-8-azaspiro[2.6]nonane is CCn1cncc1S(=O)(=O)N1CCOCC2(CC2)C1.
What is the InChIKey of 8-(3-ethylimidazol-4-yl)sulfonyl-5-oxa-8-azaspiro[2.6]nonane?
The InChIKey is KREQVPYBECUNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-2-14-10-13-7-11(14)19(16,17)15-5-6-18-9-12(8-15)3-4-12/h7,10H,2-6,8-9H2,1H3.
What are the key properties of 8-(3-ethylimidazol-4-yl)sulfonyl-5-oxa-8-azaspiro[2.6]nonane?
8-(3-ethylimidazol-4-yl)sulfonyl-5-oxa-8-azaspiro[2.6]nonane has a molecular weight of 285.37 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-ethylimidazol-4-yl)sulfonyl-5-oxa-8-azaspiro[2.6]nonane is sourced from PubChem (CID 127806559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).